IUPAC Name: Diethyl-[2-[(2,4,6-trimethylbenzoyl)amino]ethyl]azanium chloride
Synonyms of N-(2-(Diethylamino)ethyl)-2,4,6-trimethylbenzamide hydrochloride (CAS NO.78109-87-2): beta-Isodurylamide, N-(2-(diethylamino)ethyl)-, hydrochloride ; Benzamide, N-(2-(diethylamino)ethyl)-2,4,6-trimethyl-, hydrochloride
InChI: InChI=1/C16H26N2O.ClH/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
InChIKey: QKZRSLWEWLRUOS-UHFFFAOYAU
Std. InChI: InChI=1S/C16H26N2O.ClH/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5;/h10-11H,6-9H2,1-5H3,(H,17,19);1H
Std. InChIKey: QKZRSLWEWLRUOS-UHFFFAOYSA-N
CAS NO: 78109-87-2
Molecular Formula: C16H27ClN2O
Molecular Weight: 298.8514
Molecular Structure :
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 20.31 Å2
Flash Point: 169.4 °C
Enthalpy of Vaporization: 60.17 kJ/mol
Boiling Point: 356.4 °C at 760 mmHg
Vapour Pressure: 2.92E-05 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 390mg/kg (390mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. | |
rat | LD50 | intraperitoneal | 171mg/kg (171mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 708, 1958. |
Poison by intraperitoneal and subcutaneous routes. An eye irritant. When N-(2-(Diethylamino)ethyl)-2,4,6-trimethylbenzamide hydrochloride (CAS NO.78109-87-2) is heated to decomposition, it emits very toxic fumes of HCl and NOx.
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